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Title: Polarity-driven oxygen vacancy formation in ultrathin LaNiO 3 films on SrTiO 3

Oxide heterostructures offer a pathway to control emergent phases in complex oxides, but their creation often leads to boundaries that have a polar discontinuity. In order to fabricate atomic-scale arrangements of dissimilar materials, we need a clear understanding of the pathways by which materials resolve polarity issues. By examining the real-time lattice structure in-situ during growth for the case of polar LaNiO 3 synthesized on non-polar SrTiO 3 (001), we demonstrate how films in ultra-thin limit form as LaNiO 2.5 and then evolve into LaNiO 3 as the thickness increases. Theory explains how the polar energetics drives the formation of oxygen vacancies and the stability of these phases with thickness and structure.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6] ;  [7] ;  [6] ;  [2] ;  [4] ;  [6]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering
  2. Univ. of Wisconsin, Madison, WI (United States). Dept. of Materials Science and Engineering
  3. Korea Atomic Energy Research Inst., Daejeon (Republic of Korea). Neutron Science Division
  4. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
  5. Univ. of Illinois, Urbana-Champaign, IL (United States). Materials Research Lab., Dept. of Physics
  6. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
  7. Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Northwestern Univ., Evanston, IL (United States). Dept. of Physics and Astronomy
Publication Date:
Grant/Contract Number:
AC02-06CH11357; DMR-1121288; ACI-1053575
Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 1; Journal Issue: 5; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1425266

Tung, I-Cheng, Luo, Guangfu, Lee, June Hyuk, Chang, Seo Hyoung, Moyer, Jarrett, Hong, Hawoong, Bedzyk, Michael J., Zhou, Hua, Morgan, Dane, Fong, Dillon D., and Freeland, John W.. Polarity-driven oxygen vacancy formation in ultrathin LaNiO3 films on SrTiO3. United States: N. p., Web. doi:10.1103/physrevmaterials.1.053404.
Tung, I-Cheng, Luo, Guangfu, Lee, June Hyuk, Chang, Seo Hyoung, Moyer, Jarrett, Hong, Hawoong, Bedzyk, Michael J., Zhou, Hua, Morgan, Dane, Fong, Dillon D., & Freeland, John W.. Polarity-driven oxygen vacancy formation in ultrathin LaNiO3 films on SrTiO3. United States. doi:10.1103/physrevmaterials.1.053404.
Tung, I-Cheng, Luo, Guangfu, Lee, June Hyuk, Chang, Seo Hyoung, Moyer, Jarrett, Hong, Hawoong, Bedzyk, Michael J., Zhou, Hua, Morgan, Dane, Fong, Dillon D., and Freeland, John W.. 2017. "Polarity-driven oxygen vacancy formation in ultrathin LaNiO3 films on SrTiO3". United States. doi:10.1103/physrevmaterials.1.053404. https://www.osti.gov/servlets/purl/1425266.
@article{osti_1425266,
title = {Polarity-driven oxygen vacancy formation in ultrathin LaNiO3 films on SrTiO3},
author = {Tung, I-Cheng and Luo, Guangfu and Lee, June Hyuk and Chang, Seo Hyoung and Moyer, Jarrett and Hong, Hawoong and Bedzyk, Michael J. and Zhou, Hua and Morgan, Dane and Fong, Dillon D. and Freeland, John W.},
abstractNote = {Oxide heterostructures offer a pathway to control emergent phases in complex oxides, but their creation often leads to boundaries that have a polar discontinuity. In order to fabricate atomic-scale arrangements of dissimilar materials, we need a clear understanding of the pathways by which materials resolve polarity issues. By examining the real-time lattice structure in-situ during growth for the case of polar LaNiO3 synthesized on non-polar SrTiO3 (001), we demonstrate how films in ultra-thin limit form as LaNiO2.5 and then evolve into LaNiO3 as the thickness increases. Theory explains how the polar energetics drives the formation of oxygen vacancies and the stability of these phases with thickness and structure.},
doi = {10.1103/physrevmaterials.1.053404},
journal = {Physical Review Materials},
number = 5,
volume = 1,
place = {United States},
year = {2017},
month = {10}
}

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Why some interfaces cannot be sharp
journal, January 2006
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  • Nature Materials, Vol. 5, Issue 3, p. 204-209
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